Found 89 hits with Last Name = 'jenkinson' and Initial = 'th' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104526
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104531
(3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...)Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Phosphodiesterase 4B |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104531
(3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...)Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A). |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4D |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50062387
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-...)Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C1)C(=O)NO |t:16| Show InChI InChI=1S/C16H20N2O5/c1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20/h6-8,11,15,20H,2-5,9H2,1H3,(H,17,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Phosphodiesterase 4B |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50062387
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-...)Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C1)C(=O)NO |t:16| Show InChI InChI=1S/C16H20N2O5/c1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20/h6-8,11,15,20H,2-5,9H2,1H3,(H,17,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A). |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104529
((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50062387
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-...)Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C1)C(=O)NO |t:16| Show InChI InChI=1S/C16H20N2O5/c1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20/h6-8,11,15,20H,2-5,9H2,1H3,(H,17,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104530
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)o1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4A |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104529
((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104533
(3-[5-(2-Carboxy-ethyl)-3-((S)-3-methyl-1-{2-[4-(3-...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C30H38N4O7/c1-19(2)16-24(25-18-30(41-34-25,14-12-27(36)37)15-13-28(38)39)32-26(35)17-21-8-10-22(11-9-21)31-29(40)33-23-7-5-4-6-20(23)3/h4-11,19,24H,12-18H2,1-3H3,(H,32,35)(H,36,37)(H,38,39)(H2,31,33,40)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50202531
(9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9...)Show InChI InChI=1S/C18H27N5/c1-5-14-13-10-11-22-16(19-20-17(22)18(2,3)4)15(13)23(21-14)12-8-6-7-9-12/h12H,5-11H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50202531
(9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9...)Show InChI InChI=1S/C18H27N5/c1-5-14-13-10-11-22-16(19-20-17(22)18(2,3)4)15(13)23(21-14)12-8-6-7-9-12/h12H,5-11H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4D |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50062381
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-5-methyl-4,5...)Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C)(C1)C(=O)NO |t:16| Show InChI InChI=1S/C17H22N2O5/c1-17(16(20)18-21)10-13(19-24-17)11-7-8-14(22-2)15(9-11)23-12-5-3-4-6-12/h7-9,12,21H,3-6,10H2,1-2H3,(H,18,20) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A). |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104536
((R)-3-(2,6-Dichloro-benzoylamino)-4-(2',6'-dimetho...)Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C25H23Cl2NO5/c1-32-20-7-4-8-21(33-2)23(20)16-11-9-15(10-12-16)13-17(14-22(29)30)28-25(31)24-18(26)5-3-6-19(24)27/h3-12,17H,13-14H2,1-2H3,(H,28,31)(H,29,30)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50062381
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-5-methyl-4,5...)Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C)(C1)C(=O)NO |t:16| Show InChI InChI=1S/C17H22N2O5/c1-17(16(20)18-21)10-13(19-24-17)11-7-8-14(22-2)15(9-11)23-12-5-3-4-6-12/h7-9,12,21H,3-6,10H2,1-2H3,(H,18,20) | PDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104531
(3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...)Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A). |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50062381
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-5-methyl-4,5...)Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C)(C1)C(=O)NO |t:16| Show InChI InChI=1S/C17H22N2O5/c1-17(16(20)18-21)10-13(19-24-17)11-7-8-14(22-2)15(9-11)23-12-5-3-4-6-12/h7-9,12,21H,3-6,10H2,1-2H3,(H,18,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Phosphodiesterase 4B |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50202531
(9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9...)Show InChI InChI=1S/C18H27N5/c1-5-14-13-10-11-22-16(19-20-17(22)18(2,3)4)15(13)23(21-14)12-8-6-7-9-12/h12H,5-11H2,1-4H3 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4A |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50202528
(8-Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-...)Show InChI InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3 | PDB
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| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4D |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50202528
(8-Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-...)Show InChI InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50202544
(9-cyclopentyl-5,6-dihydro-7-ethyl-3-(2-chloropheny...)Show InChI InChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3 | PDB
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| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4D |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
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| PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4C |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Homo sapiens (Human)) | BDBM50062383
(3-Cyclopentyloxy-N-hydroxycarbamoylmethyl-4-methox...)Show InChI InChI=1S/C15H20N2O5/c1-21-12-7-6-10(15(19)16-9-14(18)17-20)8-13(12)22-11-4-2-3-5-11/h6-8,11,20H,2-5,9H2,1H3,(H,16,19)(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50062383
(3-Cyclopentyloxy-N-hydroxycarbamoylmethyl-4-methox...)Show InChI InChI=1S/C15H20N2O5/c1-21-12-7-6-10(15(19)16-9-14(18)17-20)8-13(12)22-11-4-2-3-5-11/h6-8,11,20H,2-5,9H2,1H3,(H,16,19)(H,17,18) | PDB
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| CHEMBL PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 15.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104526
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50062383
(3-Cyclopentyloxy-N-hydroxycarbamoylmethyl-4-methox...)Show InChI InChI=1S/C15H20N2O5/c1-21-12-7-6-10(15(19)16-9-14(18)17-20)8-13(12)22-11-4-2-3-5-11/h6-8,11,20H,2-5,9H2,1H3,(H,16,19)(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 17.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Phosphodiesterase 4B |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Homo sapiens (Human)) | BDBM50062387
(3-(3-Cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-...)Show SMILES COc1ccc(cc1OC1CCCC1)C1=NOC(C1)C(=O)NO |t:16| Show InChI InChI=1S/C16H20N2O5/c1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20/h6-8,11,15,20H,2-5,9H2,1H3,(H,17,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50202544
(9-cyclopentyl-5,6-dihydro-7-ethyl-3-(2-chloropheny...)Show InChI InChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104527
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C27H34N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,17,21,23H,12-16H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t21?,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50062379
(3-Cyclopentyloxy-N-(1-hydroxycarbamoyl-ethyl)-4-me...)Show InChI InChI=1S/C16H22N2O5/c1-10(15(19)18-21)17-16(20)11-7-8-13(22-2)14(9-11)23-12-5-3-4-6-12/h7-10,12,21H,3-6H2,1-2H3,(H,17,20)(H,18,19) | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50062379
(3-Cyclopentyloxy-N-(1-hydroxycarbamoyl-ethyl)-4-me...)Show InChI InChI=1S/C16H22N2O5/c1-10(15(19)18-21)17-16(20)11-7-8-13(22-2)14(9-11)23-12-5-3-4-6-12/h7-10,12,21H,3-6H2,1-2H3,(H,17,20)(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Phosphodiesterase 4B |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50202528
(8-Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-...)Show InChI InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3 | PDB MMDB
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| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4A |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104534
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCC(O)=O)on1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50062383
(3-Cyclopentyloxy-N-hydroxycarbamoylmethyl-4-methox...)Show InChI InChI=1S/C15H20N2O5/c1-21-12-7-6-10(15(19)16-9-14(18)17-20)8-13(12)22-11-4-2-3-5-11/h6-8,11,20H,2-5,9H2,1H3,(H,16,19)(H,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 27.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A). |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
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CHEMBL MCE PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4D |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50202544
(9-cyclopentyl-5,6-dihydro-7-ethyl-3-(2-chloropheny...)Show InChI InChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4A |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 35.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Phosphodiesterase 4B |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4D |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Homo sapiens (Human)) | BDBM50202531
(9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9...)Show InChI InChI=1S/C18H27N5/c1-5-14-13-10-11-22-16(19-20-17(22)18(2,3)4)15(13)23(21-14)12-8-6-7-9-12/h12H,5-11H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4C |
J Med Chem 50: 344-9 (2007)
Article DOI: 10.1021/jm060904g BindingDB Entry DOI: 10.7270/Q2K0753Z |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104530
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)o1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104534
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCC(O)=O)on1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50062379
(3-Cyclopentyloxy-N-(1-hydroxycarbamoyl-ethyl)-4-me...)Show InChI InChI=1S/C16H22N2O5/c1-10(15(19)18-21)17-16(20)11-7-8-13(22-2)14(9-11)23-12-5-3-4-6-12/h7-10,12,21H,3-6H2,1-2H3,(H,17,20)(H,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A). |
J Med Chem 41: 266-70 (1998)
Article DOI: 10.1021/jm970685m BindingDB Entry DOI: 10.7270/Q2KD1X11 |
More data for this Ligand-Target Pair | |